Geometry & MOs

Info

ID:	26960
PubChem CID:	806067
Reduced:	ClON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	330.07712
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	2.7
IP(EA), eV:	-7.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloro-3-nitrophenyl)-N-(3,5-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations